| SpectraBase Compound ID | EFx9FBEE5gr |
|---|---|
| InChI | InChI=1S/C9H8ClNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2 |
| InChIKey | UFGOQTFPJKUOBH-UHFFFAOYSA-N |
| Mol Weight | 181.62 g/mol |
| Molecular Formula | C9H8ClNO |
| Exact Mass | 181.029442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1SGEBqS8Cb |
|---|---|
| Name | 1-Chloro-4-(2-isocyanatoethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.029441581 u |
| Formula | C9H8ClNO |
| InChI | InChI=1S/C9H8ClNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2 |
| InChIKey | UFGOQTFPJKUOBH-UHFFFAOYSA-N |
| Molecular Weight | 181.622 g/mol |
| SMILES | C1(=CC=C(C=C1)CCN=C=O)Cl |